Vitas-M small molecule compound

1-(2-chlorophenyl)-2,2-difluoro-2-nitroethyl 4-bromobenzenesulfonate

Catalog ID
STK434522
SMILES Brc1ccc(cc1)S(=O)(=O)OC(C([N+](=O)[O-])(F)F)c1ccccc1Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C14H9BrClF2NO5S MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9BrClF2NO5S/c15-9-5-7-10(8-6-9)25(22,23)24-13(14(17,18)19(20)21)11-3-1-2-4-12(11)16/h1-8,13H
InChIKey
WSFRTNZMHJVHFR-UHFFFAOYSA-N
Synonyms

(1(2chlorophenyl)22difluoro2nitroethyl)4bromobenzenesulfonate
1(2chlorophenyl)22difluoro2nitroethyl4bromobenzenesulfonate
Brc1ccc(cc1)S(=O)(=O)OC(C((N+)(=O)(O))(F)F)c1ccccc1Cl
C1=CC=C(C(=C1)C(C((N+)(=O)(O))(F)F)OS(=O)(=O)C2=CC=C(C=C2)Br)Cl
InChI=1SC14H9BrClF2NO5Sc1595710(869)25(2223)2413(14(1718)19(20)21)11312412(11)16h1813H
MFCD00378748
ZINC000003466596
ZINC000003466600

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.